(2-amino-4-chlorophenyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

C16H18ClN3O — CID 61115025

IUPAC(2-amino-4-chlorophenyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCc1ccc2n1CCN(C(=O)c1ccc(Cl)cc1N)C2C
InChIInChI=1S/C16H18ClN3O/c1-10-3-6-15-11(2)20(8-7-19(10)15)16(21)13-5-4-12(17)9-14(13)18/h3-6,9,11H,7-8,18H2,1-2H3
InChIKeyFSNSRVHVKGQSMZ-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.25
Rot. Bonds1

About (2-amino-4-chlorophenyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

(2-amino-4-chlorophenyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (PubChem CID 61115025) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is (2-amino-4-chlorophenyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-chlorophenyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
PubChem CID61115025
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name(2-amino-4-chlorophenyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCc1ccc2n1CCN(C(=O)c1ccc(Cl)cc1N)C2C
InChIInChI=1S/C16H18ClN3O/c1-10-3-6-15-11(2)20(8-7-19(10)15)16(21)13-5-4-12(17)9-14(13)18/h3-6,9,11H,7-8,18H2,1-2H3
InChIKeyFSNSRVHVKGQSMZ-UHFFFAOYSA-N
XLogP3.25
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-chlorophenyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The IUPAC name of (2-amino-4-chlorophenyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (CID 61115025) is (2-amino-4-chlorophenyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.
What is the SMILES notation for (2-amino-4-chlorophenyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The canonical SMILES for (2-amino-4-chlorophenyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is Cc1ccc2n1CCN(C(=O)c1ccc(Cl)cc1N)C2C.
What is the InChIKey of (2-amino-4-chlorophenyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The InChIKey is FSNSRVHVKGQSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-10-3-6-15-11(2)20(8-7-19(10)15)16(21)13-5-4-12(17)9-14(13)18/h3-6,9,11H,7-8,18H2,1-2H3.
What are the key properties of (2-amino-4-chlorophenyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
(2-amino-4-chlorophenyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone has a molecular weight of 303.79 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-chlorophenyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 61115025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).